Molecule

ID:86564

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂O₂
Molecular Mass
205.03804
Exact Mass
203.97448479
Charge
0
InChI
InChI=1S/C8H6Cl2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey
VCRWILYAWSRHBN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
O=C(c1ccc(cc1Cl)Cl)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.184812
LogD (pH = 7.4)
3.184812
Log P
3.184812
Molar Refractivity
47.6929
Polarizability
18.605797
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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